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Heterocyclic compounds

Areptin A

Also known as (11S,13R,16S)-2alpha,6alpha,19-triacetoxy-3beta-(2-methylbutyryloxy)-4alpha, 18:11, 16:15, 16-triepoxy-neo-clerodan-1beta-ol

CAS 220997-80-8Formula C31H46O12Molar mass 610.70 g/mol
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Areptin A chemical structure, C31H46O12, CAS 220997-80-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
220997-80-8
Formula
C31H46O12
Molar mass
610.70 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Areptin A?

Plain description, key identifiers and synonyms

Areptin A is a spiro-epoxide, a diterpenoid, a carboxylic ester, a secondary alcohol, an acetate ester, a furofuran and a cyclic acetal. It has a role as a plant metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2S,3R,4S,4aR,5S,6R,8S,8aR)-5-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-3,8-diacetyloxy-8a-(acetyloxymethyl)-4-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate
CAS number
220997-80-8
Molecular formula
C31H46O12
InChIKey
MMLPTCVXPCYZCP-HHERFIPJSA-N
InChI
InChI=1S/C31H46O12/c1-8-15(2)27(36)43-26-24(41-19(6)34)23(35)25-29(7,21-12-20-9-10-37-28(20)42-21)16(3)11-22(40-18(5)33)30(25,13-38-17(4)32)31(26)14-39-31/h15-16,20-26,28,35H,8-14H2,1-7H3/t15?,16-,20-,21+,22+,23-,24-,25-,26+,28+,29-,30-,31-/m1/s1
Canonical SMILES
CCC(C)C(=O)OC1C(OC(C)=O)C(O)C2C(C)(C3CC4CCOC4O3)C(C)CC(OC(C)=O)C2(COC(C)=O)C12CO2
Isomeric SMILES
CCC(C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]2[C@@]([C@@H](C[C@@H]([C@]2([C@@]13CO3)COC(=O)C)OC(=O)C)C)(C)[C@@H]4C[C@H]5CCO[C@H]5O4)O)OC(=O)C

Synonyms

  • (11S,13R,16S)-2alpha,6alpha,19-triacetoxy-3beta-(2-methylbutyryloxy)-4alpha, 18:11, 16:15, 16-triepoxy-neo-clerodan-1beta-ol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
610.70 g/molcalc.
Exact mass
610.2989 Dacalc.
LogP (octanol/water)
2.31calc.
Topological polar surface area
156.4 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
8calc.
Heavy atoms
43calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
13calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CC(C2CC3CCOC3O2)C2CCCC3(CO3)C2C1

C1CC(C2CC3CCOC3O2)C2CCCC3(CO3)C2C1

5 rings, 20 atoms.

19 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Areptin A suppliers

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Areptin A price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Areptin A is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Areptin A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Areptin A, based on the data on this page

What is Areptin A?

Areptin A is a spiro-epoxide, a diterpenoid, a carboxylic ester, a secondary alcohol, an acetate ester, a furofuran and a cyclic acetal. It has a role as a plant metabolite.

What is the CAS number of Areptin A?

The CAS registry number of Areptin A is 220997-80-8.

What is the molecular formula and weight of Areptin A?

The molecular formula of Areptin A is C31H46O12 and its molar mass is 610.70 g/mol.

What is Areptin A used for?

Known uses and roles of Areptin A include cooling agents in flavors and fragrances, eukaryotic metabolite, metabolite and plant metabolite.

Is Areptin A hazardous?

No GHS hazard classification for Areptin A is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Areptin A?

Areptin A is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Areptin A?

Post a free request on CompoundList and suppliers of Areptin A will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Areptin A?

Suppliers quote Areptin A on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Areptin A

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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